Compound Identification
SMILES
CC1=CC(=O)OC2=CC(OC3=CC=C(CBr)C=C3)=CC(OCC3=CC=C(CBr)C=C3)=C12
InChIKey
InChIKey=NWHIEASOLPULLS-UHFFFAOYSA-N
Formula
C25H20Br2O4
Mass
544.239
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Diarylethers 1-benzopyrans Phenoxy compounds Phenol ethers Benzyl bromides Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Benzyl bromide - Benzyl halide - Pyranone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl bromide - Hydrocarbon derivative - Alkyl halide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available